(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)methanol

C5H8N4OS — CID 83083879

IUPAC(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)methanol
SMILESCSc1nc(N)nc(CO)n1
InChIInChI=1S/C5H8N4OS/c1-11-5-8-3(2-10)7-4(6)9-5/h10H,2H2,1H3,(H2,6,7,8,9)
InChIKeyXXJRMJBQPPUYJU-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.33
Rot. Bonds2

About (4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)methanol

(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)methanol (PubChem CID 83083879) has the molecular formula C5H8N4OS and a molecular weight of 172.21 g/mol. Its IUPAC name is (4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)methanol.

Molecular Properties

Compound Name(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)methanol
PubChem CID83083879
Molecular FormulaC5H8N4OS
Molecular Weight172.21 g/mol
Exact Mass172.04
IUPAC Name(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)methanol
SMILESCSc1nc(N)nc(CO)n1
InChIInChI=1S/C5H8N4OS/c1-11-5-8-3(2-10)7-4(6)9-5/h10H,2H2,1H3,(H2,6,7,8,9)
InChIKeyXXJRMJBQPPUYJU-UHFFFAOYSA-N
XLogP-0.33
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4,6-Diamino-1,3,5-triazin-2-yl)methanol
CID 10630590
(4-Amino-6-methoxy-1,3,5-triazin-2-yl)methanol
CID 180026
4-Methylsulfanyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103206957
4-Methoxymethyl-6-methylthio-2-amino-1,3,5-triazine
CID 22349738
2-(Methoxymethyl)-4-methyl-6-methylsulfanyl-1,3,5-triazine
CID 67234767
1-(4-Amino-6-(methylthio)-1,3,5-triazin-2-yl)ethanol
CID 67257933
(4-Amino-6-methyl-1,3,5-triazin-2-yl)methanol
CID 68523475
3-(4-Amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-1-ol
CID 83084222
(1S)-1-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)ethanol
CID 83084598
4-(Ethoxymethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084707
2-(4-Amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-2-ol
CID 83085031
4-(1-Methoxyethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 104095298

Frequently Asked Questions

What is the IUPAC name of (4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)methanol?
The IUPAC name of (4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)methanol (CID 83083879) is (4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)methanol.
What is the SMILES notation for (4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)methanol?
The canonical SMILES for (4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)methanol is CSc1nc(N)nc(CO)n1.
What is the InChIKey of (4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)methanol?
The InChIKey is XXJRMJBQPPUYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4OS/c1-11-5-8-3(2-10)7-4(6)9-5/h10H,2H2,1H3,(H2,6,7,8,9).
What are the key properties of (4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)methanol?
(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)methanol has a molecular weight of 172.21 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)methanol is sourced from PubChem (CID 83083879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).